Vacancy-Assisted Diffusion in a Honeycomb Lattice and in a Diamond Lattice

Yohichi Suzuki, Kazuo Kitahara, Youhei Fujitani, Sumie Kinouchi

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Vacancy-assisted diffusion in a crystalline solid can be modeled by means of many particles jumping stochastically to their respective nearest-neighbor lattice-sites with double occupancy forbidden. The diffusion coefficient of a tagged particle, defined in terms of its mean square displacement, depends not only on the transition rate but also on the particle concentration. Nakazato and Kitahara [Prog. Theor. Phys. 64 (1980) 2261] devised a projection operator method to calculate its approximate expression interpolating between the low- and high-concentration limits for a square lattice in any dimension. In this paper, we apply their method to a honeycomb lattice and a diamond lattice, in each of which a set of the nearest-neighbor vectors depends on a site from which they originate. Compared with simulation results, our explicit expression is found to give a good interpolation in each lattice unless the host particles migrate more slowly than the tagged particle.

Original languageEnglish
Pages (from-to)2936-2943
Number of pages8
JournalJournal of the Physical Society of Japan
Volume71
Issue number12
DOIs
Publication statusPublished - 2002 Dec 1

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Keywords

  • Correlation effect
  • Correlation factor
  • Diffusion coefficient
  • Impurity diffusion
  • Projection operator
  • Self-diffusion

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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